N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H27BrN3O+ MolecularWeight: 417.36258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O/c1-2-20(17-8-10-18(22)11-9-17)23-21(26)16-24-12-14-25(15-13-24)19-6-4-3-5-7-19/h3-11,20H,2,12-16H2,1H3,(H,23,26)/p+1/t20-/m1/s1